MgTiTl
Alexandria ALEXAlex-ID: agm005703832 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2620_spg63
Ti3Tl Tl Mg2Tl
2023-06-19 10:38:57.041591
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703832).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005703832
data_agm005703832
_cell_length_a 3.23738
_cell_length_b 3.75091
_cell_length_c 11.16321
_cell_angle_alpha 99.52675
_cell_angle_beta 89.99009
_cell_angle_gamma 90.02280
_cell_volume 133.68643
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.34698 0.05724 0.52907 1.00000
Mg2 Mg 0.84783 0.93225 0.29432 1.00000
Ti1 Ti 0.84668 0.77524 0.97360 1.00000
Ti2 Ti 0.34671 0.21472 0.85006 1.00000
Tl1 Tl 0.34656 0.35123 0.12783 1.00000
Tl2 Tl 0.84647 0.63887 0.69576 1.00000
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